SCHEMBL9811701

SCHEMBL9811701

CC(C)(C)OC(=O)NC(CCCN)C(=O)CCl

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.47
CTSS P25774 3/20 0.45
ITGB3 P05106 8/20 0.43
ITGA2B P08514 8/20 0.43
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CAPN1 P07384 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7305056 0.87 CTSK (0.62) CTSKCTSS
SCHEMBL7305047 0.87 CTSK (0.62) CTSKCTSS
SCHEMBL27426690 0.83 CTSK (0.50) CTSKCTSSITGB3ITGA2BHDAC4
SCHEMBL205184 0.83 CTSK (0.51) CTSKCTSSITGB3ITGA2BMEN1
SCHEMBL27603642 0.83 CTSK (0.50) CTSKCTSSITGB3ITGA2BHDAC4
SCHEMBL17603548 0.83 CTSK (0.50) CTSKCTSSITGB3ITGA2BHDAC4
SCHEMBL1487792 0.83 CTSK (0.51) CTSKCTSSITGB3ITGA2BMEN1
SCHEMBL13385258 0.83 CTSK (0.50) CTSKCTSSITGB3ITGA2BHDAC4
SCHEMBL3697925 0.83 CTSK (0.50) CTSKCTSSITGB3ITGA2BHDAC4
SCHEMBL205183 0.83 CTSK (0.51) CTSKCTSSITGB3ITGA2BMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5064861-A ACYLATED AMINE COMPOUNDS WHICH ARE USEFUL FUNGICIGAL AGENTS ROUSSEL UCLAF (FR) 1991-11-12 US disclosed